EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H22N2O3S |
| Net Charge | 0 |
| Average Mass | 298.408 |
| Monoisotopic Mass | 298.13511 |
| SMILES | CCN(CC)C(=O)c1sc(N)c(C(=O)OC(C)C)c1C |
| InChI | InChI=1S/C14H22N2O3S/c1-6-16(7-2)13(17)11-9(5)10(12(15)20-11)14(18)19-8(3)4/h8H,6-7,15H2,1-5H3 |
| InChIKey | DTTKSMRPORHRTD-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-amino-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid propan-2-yl ester (CHEBI:109572) is a aromatic amine (CHEBI:33860) |
| 2-amino-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid propan-2-yl ester (CHEBI:109572) is a isopropyl ester (CHEBI:35725) |
| 2-amino-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid propan-2-yl ester (CHEBI:109572) is a tertiary carboxamide (CHEBI:140326) |
| 2-amino-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid propan-2-yl ester (CHEBI:109572) is a thiophenes (CHEBI:26961) |
| Manual Xrefs | Databases |
|---|---|
| LSM-21000 | LINCS |